Materials Data on Co2P by Materials Project

Abstract

Co2P crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with six equivalent CoP4 tetrahedra, corners with ten equivalent CoP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent CoP5 trigonal bipyramids. There are one shorter (2.28 Å) and four longer (2.44 Å) Co–P bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with ten equivalent CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent CoP5 trigonal bipyramids. There are two shorter (2.15 Å) and two longer (2.26 Å) Co–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.